561 research outputs found
Interface dynamics and kinetic roughening in fractals
We consider the dynamics and kinetic roughening of single-valued interfaces in two-dimensional fractal media. Assuming that the local height difference distribution function of the fronts obeys Levý statistics with a well-defined power-law decay exponent, we derive analytic expressions for the local scaling exponents. We also show that the kinetic roughening of the interfaces displays anomalous scaling and multiscaling in the relevant correlation functions. For invasion percolation models, the exponents can be obtained from the fractal geometry of percolation clusters. Our predictions are in excellent agreement with numerical simulations.Peer reviewe
Studies Needed to Address Public Health Challenges of the 2009 H1N1 Influenza Pandemic: Insights from Modeling
In light of the 2009 influenza pandemic and potential future pandemics, Maria Van Kerkhove and colleagues anticipate six public health challenges and the data needed to support sound public health decision making.The authors acknowledge support from the Bill & Melinda Gates Foundation (MDVK, CF, NMF); Royal Society (CF); Medical Research Council (MDVK, CF, PJW, NMF); EU FP7 programme (NMF); UK Health Protection Agency (PJW); US National Institutes of Health Models of Infectious Disease Agent Study program through cooperative agreement 1U54GM088588 (ML); NIH Director's Pioneer Award, DP1-OD000490-01 (DS); EU FP7 grant EMPERIE 223498 (DS); the Wellcome Trust (DS); 3R01TW008246-01S1 from Fogerty International Center and RAPIDD program from Fogerty International Center with the Science & Technology Directorate, Department of Homeland Security (SR); and the Institut de Veille Sanitaire Sanitaire funded by the French Ministry of Health (J-CD). The funders played no role in the decision to submit the article or in its preparation
Dynamics and Kinetic Roughening of Interfaces in Two-Dimensional Forced Wetting
We consider the dynamics and kinetic roughening of wetting fronts in the case
of forced wetting driven by a constant mass flux into a 2D disordered medium.
We employ a coarse-grained phase field model with local conservation of
density, which has been developed earlier for spontaneous imbibition driven by
a capillary forces. The forced flow creates interfaces that propagate at a
constant average velocity. We first derive a linearized equation of motion for
the interface fluctuations using projection methods. From this we extract a
time-independent crossover length , which separates two regimes of
dissipative behavior and governs the kinetic roughening of the interfaces by
giving an upper cutoff for the extent of the fluctuations. By numerically
integrating the phase field model, we find that the interfaces are superrough
with a roughness exponent of , a growth exponent of
, and as a function of the
velocity. These results are in good agreement with recent experiments on
Hele-Shaw cells. We also make a direct numerical comparison between the
solutions of the full phase field model and the corresponding linearized
interface equation. Good agreement is found in spatial correlations, while the
temporal correlations in the two models are somewhat different.Comment: 9 pages, 4 figures, submitted to Eur.Phys.J.
Motion of flux transfer events: a test of the Cooling model
The simple model of reconnected field line motion developed by Cooling et al. (2001) has been used in several recent case studies to explain the motion of flux transfer events across the magnetopause. We examine 213 FTEs observed by all four Cluster spacecraft under a variety of IMF conditions between November 2002 and June 2003, when the spacecraft tetrahedron separation was ~5000 km. Observed velocities were calculated from multi-spacecraft timing analysis, and compared with the velocities predicted by the Cooling model in order to check the validity of the model. After excluding three categories of FTEs (events with poorly defined velocities, a significant velocity component out of the magnetopause surface, or a scale size of less than 5000 km), we were left with a sample of 118 events. 78% of these events were consistent in both direction of motion and speed with one of the two model de Hoffmann-Teller (dHT) velocities calculated from the Cooling model (to within 30° and a factor of two in the speed). We also examined the plasma signatures of several magnetosheath FTEs; the electron signatures confirm the hemisphere of connection indicated by the model in most cases. This indicates that although the model is a simple one, it is a useful tool for identifying the source regions of FTEs
Tailoring the electronic properties of TiO2 monolayers for solar driven catalysis through transition metal doping
Abstract
Substitutional doping with transition metals is carried out in the Lepidocrocite phase - the stable monolayer geometry of TiO2 - using density functional theory (DFT) methods. The doping is carried out at the differently coordinated O atom cites, producing Janus monolayer geometries. Our results indicate that key fundamental properties for photocatalysis can be tuned via doping. Monolayers doped with Ag, Au, Pd and Pt are thermodynamically stable, among all considered doping possibilities, as evident from phonon band structure calculations. Electronic structure of the Janus monolayers alters significantly, compared to pristine TiO2, owing to the emergence of mid-gap states. Reduced band gap arises from upward shift of the valence band, suggesting enhanced visible-light response. Dopant atoms also introduce excess electrons in TiO2 monolayers, which are found to localize at a single Ti site. This induces ferromagnetism in the doped monolayers. Furthermore, charge separation between TiO2 and noble metal dopants is observed which is a key parameter in influencing the selectivity and activity of photocatalytic materials. Compared to the pristine TiO2 monolayer, the Janus structure can promote water adsorption, and the Janus monolayers exhibit significantly improved activity in the hydrogen evolution reaction. These findings suggest that engineering a novel Janus TiO2-based monolayer with a noble metal layer on the other surface can offer a potential approach to improve photocatalytic performance over pristine TiO2.Abstract
Substitutional doping with transition metals is carried out in the Lepidocrocite phase - the stable monolayer geometry of TiO2 - using density functional theory (DFT) methods. The doping is carried out at the differently coordinated O atom cites, producing Janus monolayer geometries. Our results indicate that key fundamental properties for photocatalysis can be tuned via doping. Monolayers doped with Ag, Au, Pd and Pt are thermodynamically stable, among all considered doping possibilities, as evident from phonon band structure calculations. Electronic structure of the Janus monolayers alters significantly, compared to pristine TiO2, owing to the emergence of mid-gap states. Reduced band gap arises from upward shift of the valence band, suggesting enhanced visible-light response. Dopant atoms also introduce excess electrons in TiO2 monolayers, which are found to localize at a single Ti site. This induces ferromagnetism in the doped monolayers. Furthermore, charge separation between TiO2 and noble metal dopants is observed which is a key parameter in influencing the selectivity and activity of photocatalytic materials. Compared to the pristine TiO2 monolayer, the Janus structure can promote water adsorption, and the Janus monolayers exhibit significantly improved activity in the hydrogen evolution reaction. These findings suggest that engineering a novel Janus TiO2-based monolayer with a noble metal layer on the other surface can offer a potential approach to improve photocatalytic performance over pristine TiO2
Hematite Clusters on Anatase TiO2 Surface and Effect of Oxygen Vacancy: A First Principles Study
It has been observed that small Fe2O3 clusters at low coverage on TiO2 can
enhance the photocatalytic activity, while increase in concentration and size
of the iron oxides can hinder it. Previously, TiO2/Fe2O3 composites have been
studied using DFT methods and explained a photo electron transfer from TiO2 to
Fe2O3. Nevertheless, a systematic study by increasing the size and coverage
concentration of Fe2O3 clusters on the anatase surface can give more insights
into observed photocatalytic activity. In this scenario, keeping this as a
guideline, we have simulated adsorption of Fe2O3 clusters at the anatase TiO2
(101) surface. We investigated the structural, electronic and magnetic
properties to understand the photocatalytic system. Adsorption of the clusters
at the surface is exothermic and generates impurity states in the band gap
which narrows the band gap. Notable charge transfer is attributed to a
formation of heterojunction between TiO2 and Fe2O3 cluster. These findings
indicate TiO2 to be a better photocatalyst with hematite clusters at low
coverage. We also introduced oxygen vacancy in the heterostructure to study the
possibility of altering the photocatalytic properties. We find that oxygen
vacancy further alters the electronic properties, and also locally affects the
magnetic properties. The results suggest that introduction of oxygen vacancy
can be a promising routine to modify the photocatalytic performance of TiO2.Comment: 20 pages, 13 figure
A Conserved PHD Finger Protein and Endogenous RNAi Modulate Insulin Signaling in Caenorhabditis elegans
Insulin signaling has a profound effect on longevity and the oxidative stress resistance of animals. Inhibition of insulin signaling results in the activation of DAF-16/FOXO and SKN-1/Nrf transcription factors and increased animal fitness. By studying the biological functions of the endogenous RNA interference factor RDE-4 and conserved PHD zinc finger protein ZFP-1 (AF10), which regulate overlapping sets of genes in Caenorhabditis elegans, we identified an important role for these factors in the negative modulation of transcription of the insulin/PI3 signaling-dependent kinase PDK-1. Consistently, increased expression of pdk-1 in zfp-1 and rde-4 mutants contributed to their reduced lifespan and sensitivity to oxidative stress and pathogens due to the reduction in the expression of DAF-16 and SKN-1 targets. We found that the function of ZFP-1 in modulating pdk-1 transcription was important for the extended lifespan of the age-1(hx546) reduction-of-function PI3 kinase mutant, since the lifespan of the age-1; zfp-1 double mutant strain was significantly shorter compared to age-1(hx546). We further demonstrate that overexpression of ZFP-1 caused an increased resistance to oxidative stress in a DAF-16–dependent manner. Our findings suggest that epigenetic regulation of key upstream signaling components in signal transduction pathways through chromatin and RNAi may have a large impact on the outcome of signaling and expression of numerous downstream genes.Leukemia & Lymphoma Society of America (3260-07 Special Fellow Award)Arnold and Mabel Beckman Foundation (Young Investigator Award)United States. National Institutes of Health (Director's New Innovator Award (1 DP2 OD006412-01))United States. National Institutes of Health (grant GM66269)modENCODE (grant U01 HG004270)United States. National Institutes of Health (training grant 5T32 GM07088-34
Effect of weight loss, with or without exercise, on body composition and sex hormones in postmenopausal women: the SHAPE-2 trial
Introduction
Physical inactivity and overweight are risk factors for postmenopausal breast cancer. The effect of physical activity may be partially mediated by concordant weight loss. We studied the effect on serum sex hormones, which are known to be associated with postmenopausal breast cancer risk, that is attributable to exercise by comparing randomly obtained equivalent weight loss by following a hypocaloric diet only or mainly by exercise.
Methods
Overweight, insufficiently active women were randomised to a diet (N = 97), mainly exercise (N = 98) or control group (N = 48). The goal of both interventions was to achieve 5–6 kg of weight loss by following a calorie-restricted diet or an intensive exercise programme combined with only a small caloric restriction. Primary outcomes after 16 weeks were serum sex hormones and sex hormone-binding globulin (SHBG). Body fat and lean mass were measured by dual-energy X-ray absorptiometry.
Results
Both the diet (−4.9 kg) and mainly exercise (−5.5 kg) groups achieved the target weight loss. Loss of body fat was significantly greater with exercise versus diet (difference −1.4 kg, P < 0.001). In the mainly exercise arm, the reduction in free testosterone was statistically significantly greater than that of the diet arm (treatment effect ratio [TER] 0.92, P = 0.043), and the results were suggestive of a difference for androstenedione (TER 0.90, P = 0.064) and SHBG (TER 1.05, P = 0.070). Compared with the control arm, beneficial effects were seen with both interventions, diet and mainly exercise, respectively, on oestradiol (TER 0.86, P = 0.025; TER 0.83, P = 0.007), free oestradiol (TER 0.80, P = 0.002; TER 0.77, P < 0.001), SHBG (TER 1.14; TER 1.21, both P < 0.001) and free testosterone (TER 0.91, P = 0.069; TER = 0.84, P = 0.001). After adjustment for changes in body fat, intervention effects attenuated or disappeared.
Conclusions
Weight loss with both interventions resulted in favourable effects on serum sex hormones, which have been shown to be associated with a decrease in postmenopausal breast cancer risk. Weight loss induced mainly by exercise additionally resulted in maintenance of lean mass, greater fitness, greater fat loss and a larger effect on (some) sex hormones. The greater fat loss likely explains the observed larger effects on sex hormone
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